2-Hydroxy-1-(4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl)ethanone
| Internal ID | 72f66a5b-99d6-4e59-a972-c353f76b1194 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2-hydroxy-1-(4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl)ethanone |
| SMILES (Canonical) | CC(C)C1CCC(C2C1C(CC2)C(=O)CO)(C)O |
| SMILES (Isomeric) | CC(C)C1CCC(C2C1C(CC2)C(=O)CO)(C)O |
| InChI | InChI=1S/C15H26O3/c1-9(2)10-6-7-15(3,18)12-5-4-11(14(10)12)13(17)8-16/h9-12,14,16,18H,4-8H2,1-3H3 |
| InChI Key | FBKFZIGTPRAJFI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H26O3 |
| Molecular Weight | 254.36 g/mol |
| Exact Mass | 254.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.40% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.08% | 96.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.87% | 96.61% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.10% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.45% | 100.00% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 87.33% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.93% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.96% | 91.24% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.87% | 91.11% |
| CHEMBL268 | P43235 | Cathepsin K | 83.58% | 96.85% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.17% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.46% | 93.04% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.40% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.21% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.19% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.99% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.73% | 96.95% |
| CHEMBL4072 | P07858 | Cathepsin B | 80.69% | 93.67% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.39% | 90.17% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.18% | 98.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Petasites tatewakianus |
| PubChem | 72978796 |
| LOTUS | LTS0243228 |
| wikiData | Q104992702 |